2-[2-[(4-carbamimidoylphenyl)carbamoyl]-1-benzofuran-5-yl]-3,4-dimethyl-benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-1-benzofuran-5-yl]-3,4-dimethyl-benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]benzofuran-5-yl]-3,4-dimethyl-benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-5-benzofuranyl]-3,4-dimethylbenzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-1-benzofuran-5-yl]-3,4-dimethylbenzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]benzofuran-5-yl]-3,4-dimethyl-benzoic acid Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)O)C2=CC3=C(C=C2)OC(=C3)C(=O)NC4=CC=C(C=C4)C(=N)N)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)O)C2=CC3=C(C=C2)OC(=C3)C(=O)NC4=CC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C25H21N3O4/c1-13-3-9-19(25(30)31)22(14(13)2)16-6-10-20-17(11-16)12-21(32-20)24(29)28-18-7-4-15(5-8-18)23(26)27/h3-12H,1-2H3,(H3,26,27)(H,28,29)(H,30,31)